2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C19H20F3N5O2 — CID 58039352

IUPAC2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCc1cccc(Nc2nc(NCc3ccc(C)o3)nc(OCC(F)(F)F)n2)c1
InChIInChI=1S/C19H20F3N5O2/c1-3-13-5-4-6-14(9-13)24-17-25-16(23-10-15-8-7-12(2)29-15)26-18(27-17)28-11-19(20,21)22/h4-9H,3,10-11H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyFQIYEVBJOVGDAT-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.63
Rot. Bonds8

About 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 58039352) has the molecular formula C19H20F3N5O2 and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID58039352
Molecular FormulaC19H20F3N5O2
Molecular Weight407.40 g/mol
Exact Mass407.16
IUPAC Name2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCc1cccc(Nc2nc(NCc3ccc(C)o3)nc(OCC(F)(F)F)n2)c1
InChIInChI=1S/C19H20F3N5O2/c1-3-13-5-4-6-14(9-13)24-17-25-16(23-10-15-8-7-12(2)29-15)26-18(27-17)28-11-19(20,21)22/h4-9H,3,10-11H2,1-2H3,(H2,23,24,25,26,27)
InChIKeyFQIYEVBJOVGDAT-UHFFFAOYSA-N
XLogP4.63
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(5-methylfuran-2-yl)methyl]-2-N-[3-(morpholin-4-ylmethyl)phenyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58040158
2-N-[(5-methylfuran-2-yl)methyl]-4-N-(2-phenylethyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 123835482
4-N-[(5-methylfuran-2-yl)methyl]-2-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 67016049
4-[[4-ethoxy-6-[(5-methylfuran-2-yl)methylamino]-1,3,5-triazin-2-yl]amino]phenol
CID 58040323
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58039445
2-N-[4-(aminomethyl)phenyl]-4-N-[[3-(aminomethyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 67074644
4-N-[(4-iodophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 162601082
4-methyl-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 88586086
4-(4-ethylsulfonylpiperazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58040422
4-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 58040093
ethyl 4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]butanoate
CID 58039597
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 87237386

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 58039352) is 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is CCc1cccc(Nc2nc(NCc3ccc(C)o3)nc(OCC(F)(F)F)n2)c1.
What is the InChIKey of 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is FQIYEVBJOVGDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2/c1-3-13-5-4-6-14(9-13)24-17-25-16(23-10-15-8-7-12(2)29-15)26-18(27-17)28-11-19(20,21)22/h4-9H,3,10-11H2,1-2H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 407.40 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-ethylphenyl)-4-N-[(5-methylfuran-2-yl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 58039352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).